benzo[g]phenanthren-3-amine; 2,4,7-trinitrofluoren-9-one

Systemtic Name: benzo[g]phenanthren-3-amine; 2,4,7-trinitrofluoren-9-one Openeye Name: benzo[g]phenanthren-3-amine; 2,4,7-trinitrofluoren-9-one CAS Name: 3-benzo[g]phenanthrenamine; 2,4,7-trinitro-9-fluorenone IUPAC Name: benzo[g]phenanthren-3-amine; 2,4,7-trinitrofluoren-9-one Traditional Name: benzo[g]phenanthren-3-ylamine; 2,4,7-trinitrofluoren-9-one Formula: C31H18N4O7 MolecularWeight: 558.49722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=C(C=C4)N.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=C(C=C4)N.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N.C13H5N3O7/c19-15-9-10-17-14(11-15)8-7-13-6-5-12-3-1-2-4-16(12)18(13)17;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-11H,19H2;1-5H